4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide

C15H20N4O2 — CID 51093015

IUPAC4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
SMILESCCOCCCC(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C15H20N4O2/c1-3-21-11-5-7-14(20)18-13-6-4-8-17-15(13)19-10-9-16-12(19)2/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,18,20)
InChIKeyXQPQZLOCWGLWSL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.33
Rot. Bonds7

About 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide

4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide (PubChem CID 51093015) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
PubChem CID51093015
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
SMILESCCOCCCC(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C15H20N4O2/c1-3-21-11-5-7-14(20)18-13-6-4-8-17-15(13)19-10-9-16-12(19)2/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,18,20)
InChIKeyXQPQZLOCWGLWSL-UHFFFAOYSA-N
XLogP2.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119847732
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 79474016
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 54861926
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
2-(2-fluorophenoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 51092996
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 75479273

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
The IUPAC name of 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide (CID 51093015) is 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide is CCOCCCC(=O)Nc1cccnc1-n1ccnc1C.
What is the InChIKey of 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
The InChIKey is XQPQZLOCWGLWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-21-11-5-7-14(20)18-13-6-4-8-17-15(13)19-10-9-16-12(19)2/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,18,20).
What are the key properties of 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide has a molecular weight of 288.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 51093015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).